ChemSpider 2D Image | (5R,6R,7S,8R,8aS)-6,7,8-Trihydroxy-5-(hydroxymethyl)(2,3-~13~C_2_,1-~15~N)hexahydroimidazo[1,2-a]pyridine-2,3-dione | C613C2H12N15NO6

(5R,6R,7S,8R,8aS)-6,7,8-Trihydroxy-5-(hydroxymethyl)(2,3-13C2,1-15N)hexahydroimidazo[1,2-a]pyridine-2,3-dione

  • Molecular FormulaC613C2H12N15NO6
  • Average mass235.169 Da
  • Monoisotopic mass235.073288 Da
  • ChemSpider ID58782973

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5R,6R,7S,8R,8aS)-6,7,8-Trihydroxy-5-(hydroxymethyl)(2,3-13C2,1-15N)hexahydroimidazo[1,2-a]pyridin-2,3-dion [German] [ACD/IUPAC Name]
(5R,6R,7S,8R,8aS)-6,7,8-Trihydroxy-5-(hydroxymethyl)(2,3-13C2,1-15N)hexahydroimidazo[1,2-a]pyridine-2,3-dione [ACD/IUPAC Name]
(5R,6R,7S,8R,8aS)-6,7,8-Trihydroxy-5-(hydroxyméthyl)(2,3-13C2,1-15N)hexahydroimidazo[1,2-a]pyridine-2,3-dione [French] [ACD/IUPAC Name]
Imidazo[1,2-a]pyridine-2,3-dione-2,3-13C2-1-15N, hexahydro-6,7,8-trihydroxy-5-(hydroxymethyl)-, (5R,6R,7S,8R,8aS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.706
Molar Refractivity: 48.8±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 118.9±5.0 dyne/cm
Molar Volume: 125.4±5.0 cm3

Click to predict properties on the Chemicalize site


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